Match comparison for Density value 1 (match type 22565)
Commits >
Commit a707423db2dcfe1920cae26cacaed48d94544399 >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.133911120244441e-02 | 1.270000000000000e-13 | 4.133911120255798e-02 | 2.570760044217117e-15 | 4.133911120255369e-02 | 5.700301342059788e-15 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.041339111202444406, precision: 0.000000000000127| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 4.133911120255870e-02 | 1.142905214912560e-13 | 8.999253660728816e-01 | PASS |
| cmake_foss_2022a_full_serial | 4.133911120255940e-02 | 1.149913497755506e-13 | 9.054436990200835e-01 | PASS |
| cmake_foss_2022a_min_serial | 4.133911120255940e-02 | 1.149913497755506e-13 | 9.054436990200835e-01 | PASS |
| cmake_foss_2022a_full_mpi | 4.133911120255920e-02 | 1.147970607462412e-13 | 9.039138641436315e-01 | PASS |
| cmake_foss_2022a_min_mpi | 4.133911120255920e-02 | 1.147970607462412e-13 | 9.039138641436315e-01 | PASS |
| eb_foss-2022a | 4.133911120255910e-02 | 1.146929773376826e-13 | 9.030943097455322e-01 | PASS |
| eb_fosscuda-2022a | 4.133911120254800e-02 | 1.035907470914310e-13 | 8.156751739482757e-01 | PASS |
| eb_foss-2022a_debug | 4.133911120255910e-02 | 1.146929773376826e-13 | 9.030943097455322e-01 | PASS |
| eb_foss-2022a_mpi | 4.133911120255870e-02 | 1.142905214912560e-13 | 8.999253660728816e-01 | PASS |
| eb_foss-2022b_libxc6 | 4.133911120255820e-02 | 1.137909211301746e-13 | 8.959915049620051e-01 | PASS |
| foss-2022a_opt | 4.133911120255910e-02 | 1.146929773376826e-13 | 9.030943097455322e-01 | PASS |
| intel-2022a | 4.133911120255780e-02 | 1.133954041776519e-13 | 8.928771982492278e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 4.133911120255870e-02 | 1.142905214912560e-13 | 8.999253660728816e-01 | PASS |
| foss-2022a_omp | 4.133911120255860e-02 | 1.141933769766013e-13 | 8.991604486346556e-01 | PASS |
| intel-2022b | 4.133911120255780e-02 | 1.133954041776519e-13 | 8.928771982492278e-01 | PASS |
| spack_foss-2022a_serial | 4.133911120255940e-02 | 1.149913497755506e-13 | 9.054436990200835e-01 | PASS |
| eb_foss-2022a_mpi_debug | 4.133911120255870e-02 | 1.142905214912560e-13 | 8.999253660728816e-01 | PASS |
| intel-2022a_omp | 4.133911120255760e-02 | 1.131941762544386e-13 | 8.912927264129026e-01 | PASS |
| intel-2022a_impi | 4.133911120255770e-02 | 1.132913207690933e-13 | 8.920576438511285e-01 | PASS |
| intel-2022b_impi | 4.133911120255770e-02 | 1.132913207690933e-13 | 8.920576438511285e-01 | PASS |
| foss-2022a_mpi_omp | 4.133911120255900e-02 | 1.145958328230279e-13 | 9.023293923073062e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 4.133911120255050e-02 | 1.060956877907415e-13 | 8.353991164625317e-01 | PASS |
| spack_foss-2022a_serial_min | 4.133911120255940e-02 | 1.149913497755506e-13 | 9.054436990200835e-01 | PASS |
| spack_foss-2022a_serial_opt | 4.133911120255940e-02 | 1.149913497755506e-13 | 9.054436990200835e-01 | PASS |
| spack_foss-2022a_serial_debug | 4.133911120255940e-02 | 1.149913497755506e-13 | 9.054436990200835e-01 | PASS |
| spack_foss-2022a_serial_omp | 4.133911120255790e-02 | 1.134925486923066e-13 | 8.936421156874539e-01 | PASS |
| intel-2022a_omp_impi | 4.133911120255760e-02 | 1.131941762544386e-13 | 8.912927264129026e-01 | PASS |